9C1W

Structure of AKT2 with compound 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2024-03-08
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99987
Spacegroup name	P 32 2 1
Unit cell lengths	76.140, 76.140, 153.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.700 - 2.000
R-factor	0.2066
Rwork	0.205
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.940
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.700	2.071
High resolution limit [Å]	2.000	2.000
Number of reflections	35510	3474
<I/σ(I)>	17.1
Completeness [%]	99.9
Redundancy	19.9
CC(1/2)	0.999	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M HEPES pH 7.5, 20 % w/v PEG 8000